1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone

C9H11NO2S — CID 65328654

IUPAC1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C9H11NO2S/c1-6(11)7-5-13-9(10-7)8-3-2-4-12-8/h5,8H,2-4H2,1H3
InChIKeyIFONMWXQGOGATJ-UHFFFAOYSA-N
MW197.26 g/mol
LogP2.20
Rot. Bonds2

About 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 65328654) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID65328654
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(C2CCCO2)n1
InChIInChI=1S/C9H11NO2S/c1-6(11)7-5-13-9(10-7)8-3-2-4-12-8/h5,8H,2-4H2,1H3
InChIKeyIFONMWXQGOGATJ-UHFFFAOYSA-N
XLogP2.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone (CID 65328654) is 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(C2CCCO2)n1.
What is the InChIKey of 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is IFONMWXQGOGATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-6(11)7-5-13-9(10-7)8-3-2-4-12-8/h5,8H,2-4H2,1H3.
What are the key properties of 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 197.26 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 65328654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).